Smoothing the Landscape: Causal Structure Learning via Diffusion Denoising Objectives
Organizations: Beth Israel Deaconess Medical Center Harvard Medical School Boston, MA, USA · Department of Computer Science Tufts University Medford, MA, USA
Abstract
Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and DAG-GNN, often face issues with scalability and stability in high-dimensional data, especially when there is a feature-sample imbalance. Here, we show that the denoising score matching objective of diffusion models could smooth the gradients for faster, more stable convergence. We also propose an adaptive k-hop acyclicity constraint that improves runtime over existing solutions that require matrix inversion. We name this framework Denoising Diffusion Causal Discovery (DDCD). Unlike generative diffusion models, DDCD utilizes the reverse denoising process to infer a parameterized causal structure rather than to generate data. We demonstrate the competitive performance of DDCDs on synthetic benchmarking data. We also show that our methods are practically useful by conducting qualitative analyses on two real-world examples. Code is available at this url: https://github.com/haozhu233/ddcd.
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Supplementary material from the paper’s appendix.
Appendix
| Optimizer | Nodes | SHD | TPR | FPR | FDR | Time(s) |
|---|---|---|---|---|---|---|
| Augmented Lagrangian | 20 | 32.5±3.0 | 0.45±0.03 | 0.01±0.01 | 0.04±0.02 | 15.8±8.2 |
| 50 | 135.8±11.7 | 0.23±0.04 | 0.00±0.00 | 0.10±0.08 | 13.8±0.8 | |
| 100 | 328.5±18.1 | 0.13±0.01 | 0.00±0.00 | 0.15±0.03 | 27.4±8.1 | |
| Linear Multiplier | 20 | 10.7±5.9 | 0.96±0.04 | 0.07±0.04 | 0.14±0.07 | 8.9±1.7 |
| 50 | 46.2±12.5 | 0.97±0.01 | 0.04±0.01 | 0.21±0.05 | 12.8±2.1 | |
| 100 | 139.3±16.2 | 0.96±0.01 | 0.03±0.00 | 0.26±0.03 | 15.9±3.3 |
| N | Data | Graph | Method | SHD | TPR | FDR | FPR | Time(s) |
|---|---|---|---|---|---|---|---|---|
| 2000 | linear | SF-20 | DAG-GNN | 0.9±1.0 | 0.99±0.01 | 0.02±0.02 | 0.01±0.01 | 548.8 |
| 2000 | linear | SF-20 | DDCD Linear | 0.3±0.9 | 1.00±0.01 | 0.01±0.02 | 0.00±0.01 | 13.1 |
| 2000 | linear | SF-20 | DDCD Non-linear | 9.0±18.3 | 0.87±0.25 | 0.07±0.19 | 0.02±0.04 | 4.1 |
| 2000 | linear | SF-20 | DDCD Smooth | 50.7±7.0 | 0.17±0.16 | 0.73±0.18 | 0.17±0.06 | 4.0 |
| 2000 | linear | SF-20 | GAE | 139.3±3.2 | 0.60±0.03 | 0.86±0.00 | 1.43±0.10 | 890.5 |
| 2000 | linear | SF-20 | GOLEM | 6.0±0.0 | 0.92±0.00 | 0.08±0.00 | 0.03±0.00 | 156.4 |
| Source | Source Label | Target | Target Label | Weight |
|---|---|---|---|---|
| LID_KB | Use of lidocaine by the Emergency Cardiology Team | NA_KB | Use of opioid drugs by the Emergency Cardiology Team | 0.66 |
| R_AB_2_n | Relapse of the pain in the second day of the hospital period | NA_R_2_n | Use of opioid drugs in the ICU in the second day of the hospital period | 0.58 |
| R_AB_1_n | Relapse of the pain in the first hours of the hospital period | NA_R_1_n | Use of opioid drugs in the ICU in the first hours of the hospital period | 0.52 |
| R_AB_3_n | Relapse of the pain in the third day of the hospital period | NA_R_3_n | Use of opioid drugs in the ICU in the third day of the hospital period | 0.50 |
| NOT_NA_2_n | Use of NSAIDs in the ICU in the second day of the hospital period | R_AB_2_n | Relapse of the pain in the second day of the hospital period | 0.49 |
| RAZRIV | Myocardial rupture | LET_IS | Lethal outcome | 0.48 |
| Source | Source Label | Target | Target Label | Weight |
|---|---|---|---|---|
| LET_IS | Lethal outcome | AGE | Age of patient. | 1 |
| LET_IS | Lethal outcome | S_AD_ORIT | Systolic blood pressure according to intensive care unit | 1 |
| LET_IS | Lethal outcome | D_AD_ORIT | Diastolic blood pressure according to intensive care unit | 1 |
| FK_STENOK | Functional class (FC) of angina pectoris in the last year. | NA_BLOOD | Serum sodium content | 1 |
| MP_TP_POST | Paroxysms of atrial fibrillation at the time of admission to intensive care unit, (or at a pre-hospital stage) | NA_BLOOD | Serum sodium content | 1 |
| nr_11 | Observing of arrhythmia in the anamnesis | NA_BLOOD | Serum sodium content | 1 |
Causal Discovery
Causal discovery infers cause-and-effect structures from observational and interventional data, distinguishing causal relationships from correlation.
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